3,6-dihydro-2H-pyridin-1-yl-(5-hydroxy-3-pyridinyl)methanone

C11H12N2O2 — CID 115976365

IUPAC3,6-dihydro-2H-pyridin-1-yl-(5-hydroxy-3-pyridinyl)methanone
SMILESO=C(c1cncc(O)c1)N1CC=CCC1
InChIInChI=1S/C11H12N2O2/c14-10-6-9(7-12-8-10)11(15)13-4-2-1-3-5-13/h1-2,6-8,14H,3-5H2
InChIKeySOQDUYRFGUULHJ-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.19
Rot. Bonds1

About 3,6-dihydro-2H-pyridin-1-yl-(5-hydroxy-3-pyridinyl)methanone

3,6-dihydro-2H-pyridin-1-yl-(5-hydroxy-3-pyridinyl)methanone (PubChem CID 115976365) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 3,6-dihydro-2H-pyridin-1-yl-(5-hydroxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name3,6-dihydro-2H-pyridin-1-yl-(5-hydroxy-3-pyridinyl)methanone
PubChem CID115976365
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name3,6-dihydro-2H-pyridin-1-yl-(5-hydroxy-3-pyridinyl)methanone
SMILESO=C(c1cncc(O)c1)N1CC=CCC1
InChIInChI=1S/C11H12N2O2/c14-10-6-9(7-12-8-10)11(15)13-4-2-1-3-5-13/h1-2,6-8,14H,3-5H2
InChIKeySOQDUYRFGUULHJ-UHFFFAOYSA-N
XLogP1.19
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5-hydroxy-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 63864754
(5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 55257685
1-(5-hydroxypyridine-3-carbonyl)piperidine-4-carboxylic acid
CID 63850646
[3-(dimethylamino)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 63858593
3,9-diazabicyclo[4.2.1]nonan-3-yl-(5-hydroxy-3-pyridinyl)methanone
CID 115313946
(5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103711801
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(5-hydroxy-3-pyridinyl)methanone
CID 63860883
[2-(hydroxymethyl)morpholin-4-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 81203428
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 112625849
[(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-(5-hydroxy-3-pyridinyl)methanone;dihydrochloride
CID 154907415
[4-[(dimethylamino)methyl]piperidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 63859263
(5-hydroxy-3-pyridinyl)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 63860956

Frequently Asked Questions

What is the IUPAC name of 3,6-dihydro-2H-pyridin-1-yl-(5-hydroxy-3-pyridinyl)methanone?
The IUPAC name of 3,6-dihydro-2H-pyridin-1-yl-(5-hydroxy-3-pyridinyl)methanone (CID 115976365) is 3,6-dihydro-2H-pyridin-1-yl-(5-hydroxy-3-pyridinyl)methanone.
What is the SMILES notation for 3,6-dihydro-2H-pyridin-1-yl-(5-hydroxy-3-pyridinyl)methanone?
The canonical SMILES for 3,6-dihydro-2H-pyridin-1-yl-(5-hydroxy-3-pyridinyl)methanone is O=C(c1cncc(O)c1)N1CC=CCC1.
What is the InChIKey of 3,6-dihydro-2H-pyridin-1-yl-(5-hydroxy-3-pyridinyl)methanone?
The InChIKey is SOQDUYRFGUULHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c14-10-6-9(7-12-8-10)11(15)13-4-2-1-3-5-13/h1-2,6-8,14H,3-5H2.
What are the key properties of 3,6-dihydro-2H-pyridin-1-yl-(5-hydroxy-3-pyridinyl)methanone?
3,6-dihydro-2H-pyridin-1-yl-(5-hydroxy-3-pyridinyl)methanone has a molecular weight of 204.23 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-pyridin-1-yl-(5-hydroxy-3-pyridinyl)methanone is sourced from PubChem (CID 115976365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).